Molecule-3

Molecule-3 is an experimental small molecule designed as a hybrid histone deacetylase (HDAC) inhibitor. It was developed by integrating the pharmacophore of traditional HDAC inhibitors with natural antioxidant scaffolds, specifically derived from caffeic acid. The structure incorporates an ortho-aminoanilide moiety which serves as a zinc-binding group (ZBG) to inhibit the catalytic activity of HDAC enzymes, particularly Class I isoforms like HDAC1 and HDAC2. Developed to address the limitations of hydroxamate-based inhibitors—such as poor metabolic stability and systemic toxicity—Molecule-3 aims to provide antineoplastic effects through epigenetic modulation while potentially offering a more favorable pharmacokinetic profile. In preclinical studies, it has demonstrated inhibitory activity against various cancer cell lines, including those for breast and liver cancer.

Other names

(E)-N-(2-aminophenyl)-3-(3,4-dihydroxyphenyl)acrylamide